SCHEMBL9408922

SCHEMBL9408922

O=C(NCc1cccc(-n2nc3ccccc3n2)c1O)C(=O)NCc1cccc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SETDB1 Q15047 1/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
ASAH1 Q13510 2/20 0.35
BCHE P06276 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
HDAC1 Q13547 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9408804 0.93 SETDB1 (0.36) SETDB1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9408880 0.92 SETDB1 (0.36) SETDB1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL346033 0.90 SETDB1 (0.40) SETDB1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5339907 0.85 TGM2 (0.40) SETDB1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9408778 0.81 NPC1 (0.56) SETDB1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13121650 0.80 GABRA1 (0.52) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL9175550 0.80 NPC1 (0.44) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL9408839 0.79 NPC1 (0.41) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL2223774 0.79 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL9408737 0.78 RAB9A (0.40) NPC1RAB9ASMN1; SMN2LMNAPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593936-A1 N-[2-hydroxy-3-(2H-benzotriazol-2-yl)benzyl]oxamides as light stabilisers ELF ATOCHEM NORTH AMERICA, INC. (US) 1994-04-27 EP disclosed